General Information of the Compound
| Compound ID |
CP0406021
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| Compound Name |
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]-4-methoxy-1,3-benzothiazol-7-yl]amino]acetate
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| Structure |
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| Formula |
C20H18FN3O5S
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| Molecular Weight |
431.445
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| Canonical SMILES |
COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
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| InChI |
InChI=1S/C20H18FN3O5S/c1-11(25)24(10-16(26)29-3)14-8-9-15(28-2)17-18(14)30-20(22-17)23-19(27)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,23,27)
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| InChIKey |
RCKXKZDSVASWIU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b